[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

C16H24N6O — CID 46995759

IUPAC[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCCCCc1cn(CC2CCCN(C(=O)c3cnc[nH]3)C2)nn1
InChIInChI=1S/C16H24N6O/c1-2-3-6-14-11-22(20-19-14)10-13-5-4-7-21(9-13)16(23)15-8-17-12-18-15/h8,11-13H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyQQXWGRDSVDELOL-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.90
Rot. Bonds6

About [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 46995759) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID46995759
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCCCCc1cn(CC2CCCN(C(=O)c3cnc[nH]3)C2)nn1
InChIInChI=1S/C16H24N6O/c1-2-3-6-14-11-22(20-19-14)10-13-5-4-7-21(9-13)16(23)15-8-17-12-18-15/h8,11-13H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyQQXWGRDSVDELOL-UHFFFAOYSA-N
XLogP1.90
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 46995759) is [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is CCCCc1cn(CC2CCCN(C(=O)c3cnc[nH]3)C2)nn1.
What is the InChIKey of [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is QQXWGRDSVDELOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-2-3-6-14-11-22(20-19-14)10-13-5-4-7-21(9-13)16(23)15-8-17-12-18-15/h8,11-13H,2-7,9-10H2,1H3,(H,17,18).
What are the key properties of [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
[3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 316.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 46995759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).